diethyl 5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-[(4-methoxyphenyl)thio]-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[(4-methoxyphenyl)thio]butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H27NO6S2 MolecularWeight: 465.58288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCSC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCSC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H27NO6S2/c1-5-28-21(25)18-14(3)19(22(26)29-6-2)31-20(18)23-17(24)8-7-13-30-16-11-9-15(27-4)10-12-16/h9-12H,5-8,13H2,1-4H3,(H,23,24)